Objectives of general skills

• In the field of chemistry, possess highly specialised and integrated knowledge and a wide range of skills adding to those covered in the Bachelor's programme in chemistry.
• Help lead and complete a major development project, individually or in teams, related to chemistry.
• Mobilise, articulate and promote the knowledge and skills acquired.
• Demonstrate independence and their ability to work alone or in teams.

UE's Learning outcomes

Apply standard numerical methods or existing software to solve the fundamental problems or ancillary, related to scientific research activities
Being active in the search for existing numerical solution methods and adapted to the problems that chemists face

UE Content

Ordinary differential equations (numerical resolutions and kinetic applications)
PDEs (finite differences, diffusion problems)
Systems of nonlinear equations (Newton-Raphson)
Eigenvalue problems (applications for relaxation and population issues)
Approximation by a least squares linear and non-linear (application deconvolution)
Approximation Tchebyshev
Modeling and visualization of molecules
Minimization and conformational problems

Prior experience

Basic knowledge of a programming language
Basics of math

Term 1 for Integrated Assessment - type

• Oral examination

Term 1 for Integrated Assessment - comments

Based on a thorough job on one of the chapters of the course

Term 2 for Integrated Assessment - type

• Oral Examination

Term 2 for Integrated Assessment - comments

Based on a thorough job on one of the chapters of the course

Term 3 for Integrated Assessment - type

• Oral examination

Term 3 for Integrated Assessment - comments

Based on a thorough job on one of the chapters of the course

Resit Assessment for IT - Term 1 (B1BA1) - Comments

Not applicable